SCHEMBL20037576

SCHEMBL20037576

CC(C)(C)[Si](C)(C)OCCNC(=O)c1ccc(N)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21060525 0.84 ESRRG (0.52) EPHX2HDAC1HDAC6NPC1RAB9A
SCHEMBL13403408 0.83 EPHX2 (0.59) EPHX2HDAC1HDAC6NPC1RAB9A
SCHEMBL4599310 0.79 RAB9A (0.50) HDAC6NPC1RAB9APOLBCASP3
SCHEMBL13450223 0.79 EPHX2 (0.59) EPHX2HDAC1HDAC6KDM4EGABRP
SCHEMBL13450236 0.79 EPHX2 (0.58) EPHX2HDAC1HDAC6RAB9AKDM4E
SCHEMBL357988 0.77 TP53 (0.49) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL18870728 0.75 EPHX2 (0.54) EPHX2HDAC1HDAC6NPC1KDM4E
SCHEMBL29127177 0.75 EPHX2 (0.63) EPHX2HDAC1HDAC6NPC1RAB9A
SCHEMBL13403402 0.75 EPHX2 (0.63) EPHX2HDAC1HDAC6NPC1RAB9A
SCHEMBL21060558 0.75 MEN1 (0.61) HDAC1HDAC6NPC1RAB9APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 EPHX2 3869/4885HDAC1 137/4885HDAC6 341/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.